General Information of the Compound
| Compound ID |
CP0570316
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4760109
Show/Hide
|
||||||||||||||||||
| Formula |
C22H28BrN3
|
||||||||||||||||||
| Molecular Weight |
414.391
|
||||||||||||||||||
| Canonical SMILES |
Brc1ccc(CN2CCN(CC2)[C@H]2CC[C@H](CC2)c2ccccc2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28BrN3/c23-22-11-6-18(16-24-22)17-25-12-14-26(15-13-25)21-9-7-20(8-10-21)19-4-2-1-3-5-19/h1-6,11,16,20-21H,7-10,12-15,17H2/t20-,21+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZVKZIMHLZWXQQI-OYRHEFFESA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound